A1ANB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | N | sing | 1.40Å | 1.42Å | |
| N | C6 | sing | 1.35Å | 1.35Å | |
| C6 | O | doub | 1.21Å | 1.23Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| O1 | C7 | sing | 1.43Å | 1.42Å | |
| C8 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C10 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 121.0° | 119.9° |
| C | C1 | C10 | 120.9° | 119.9° |
| C1 | C | H1 | 109.5° | 109.4° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H | 109.5° | 109.5° |
| C1 | C2 | C3 | 122.2° | 120.0° |
| C2 | C1 | C10 | 118.0° | 120.2° |
| C1 | C2 | H3 | 118.9° | 120.0° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C2 | C3 | C5 | 118.1° | 120.0° |
| C3 | C2 | H3 | 118.9° | 120.0° |
| C4 | C3 | C5 | 121.7° | 120.1° |
| C3 | C4 | H5 | 109.5° | 109.4° |
| C3 | C4 | H4 | 109.5° | 109.4° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C3 | C5 | N | 119.2° | 120.1° |
| C3 | C5 | C8 | 121.3° | 119.8° |
| C5 | N | C6 | 123.5° | 120.0° |
| N | C5 | C8 | 119.3° | 120.1° |
| C5 | N | H7 | 118.3° | 120.0° |
| N | C6 | O | 124.2° | 120.0° |
| N | C6 | C7 | 115.9° | 120.0° |
| C6 | N | H7 | 118.3° | 120.0° |
| O | C6 | C7 | 120.0° | 120.0° |
| C6 | C7 | O1 | 111.9° | 109.5° |
| C6 | C7 | H8 | 108.8° | 109.5° |
| C6 | C7 | H9 | 108.9° | 109.5° |
| O1 | C7 | H8 | 108.9° | 109.4° |
| O1 | C7 | H9 | 108.9° | 109.5° |
| C7 | O1 | H10 | 109.5° | 114.0° |
| C5 | C8 | C9 | 122.0° | 120.0° |
| C5 | C8 | C10 | 118.1° | 119.9° |
| C9 | C8 | C10 | 119.9° | 120.1° |
| C8 | C9 | H12 | 109.5° | 109.5° |
| C8 | C9 | H11 | 109.5° | 109.5° |
| C8 | C9 | H13 | 109.4° | 109.5° |
| C8 | C10 | C1 | 122.2° | 120.1° |
| C8 | C10 | H14 | 118.9° | 120.0° |
| C1 | C10 | H14 | 118.9° | 120.0° |
| H5 | C4 | H4 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H4 | C4 | H6 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H1 | C | H2 | 109.5° | 109.5° |
| H1 | C | H | 109.4° | 109.4° |
| H2 | C | H | 109.5° | 109.5° |
| H12 | C9 | H11 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| H11 | C9 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C10 | 177.6° | 179.9° |
| C | C1 | C2 | C3 | 176.0° | 179.8° |
| C | C1 | C10 | C8 | 175.7° | 179.9° |
| C | C1 | C10 | H14 | 4.3° | 0.1° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H | 120.0° | 120.0° |
| C1 | C | H2 | H | 120.0° | 120.0° |
| C | C1 | C2 | H3 | 4.0° | 0.1° |
| C1 | C2 | C3 | H3 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 177.0° | 180.0° |
| C1 | C2 | C3 | C5 | 0.9° | 0.6° |
| C2 | C1 | C10 | C8 | 1.9° | 0.0° |
| C2 | C1 | C10 | H14 | 178.1° | 180.0° |
| C2 | C1 | C | H1 | 88.7° | 90.0° |
| C2 | C1 | C | H2 | 151.2° | 150.0° |
| C2 | C1 | C | H | 31.2° | 29.9° |
| C2 | C3 | C4 | C5 | 177.8° | 179.4° |
| C2 | C3 | C5 | N | 171.9° | 179.7° |
| C2 | C3 | C5 | C8 | 3.2° | 0.6° |
| C3 | C2 | C1 | C10 | 1.6° | 0.4° |
| C2 | C3 | C4 | H5 | 89.0° | 84.8° |
| C2 | C3 | C4 | H4 | 151.0° | 155.2° |
| C2 | C3 | C4 | H6 | 31.1° | 35.2° |
| C4 | C3 | C5 | N | 10.3° | 0.3° |
| C4 | C3 | C5 | C8 | 174.7° | 180.0° |
| C3 | C4 | H5 | H4 | 120.0° | 119.9° |
| C3 | C4 | H5 | H6 | 120.0° | 120.0° |
| C3 | C4 | H4 | H6 | 120.0° | 120.1° |
| C4 | C3 | C2 | H3 | 3.0° | 0.3° |
| C3 | C5 | N | C8 | 175.2° | 179.7° |
| C3 | C5 | N | C6 | 104.9° | 75.1° |
| C3 | C5 | C8 | C9 | 176.6° | 179.7° |
| C3 | C5 | C8 | C10 | 2.9° | 0.3° |
| C5 | C3 | C4 | H5 | 88.9° | 94.6° |
| C5 | C3 | C4 | H4 | 31.1° | 25.3° |
| C5 | C3 | C4 | H6 | 151.1° | 145.4° |
| C3 | C5 | N | H7 | 75.1° | 104.9° |
| C5 | C3 | C2 | H3 | 179.1° | 179.7° |
| C5 | N | C6 | H7 | 180.0° | 180.0° |
| C5 | N | C6 | O | 36.9° | 5.6° |
| C5 | N | C6 | C7 | 142.6° | 174.4° |
| N | C5 | C8 | C9 | 8.3° | 0.0° |
| N | C5 | C8 | C10 | 172.2° | 180.0° |
| N | C6 | O | C7 | 179.5° | 180.0° |
| N | C6 | C7 | O1 | 47.5° | 180.0° |
| C6 | N | C5 | C8 | 70.2° | 105.2° |
| N | C6 | C7 | H8 | 72.9° | 60.0° |
| N | C6 | C7 | H9 | 167.9° | 60.0° |
| O | C6 | C7 | O1 | 133.0° | 0.0° |
| O | C6 | C7 | H8 | 106.6° | 120.0° |
| O | C6 | C7 | H9 | 12.6° | 120.0° |
| O | C6 | N | H7 | 143.1° | 174.4° |
| C6 | C7 | O1 | H8 | 120.3° | 120.0° |
| C6 | C7 | O1 | H9 | 120.4° | 120.0° |
| C6 | C7 | H8 | H9 | 118.9° | 120.0° |
| C7 | C6 | N | H7 | 37.4° | 5.6° |
| C6 | C7 | O1 | H10 | 180.0° | 180.0° |
| O1 | C7 | H8 | H9 | 118.9° | 120.0° |
| C5 | C8 | C9 | C10 | 179.5° | 180.0° |
| C5 | C8 | C10 | C1 | 0.3° | 0.0° |
| C5 | C8 | C10 | H14 | 179.7° | 180.0° |
| C8 | C5 | N | H7 | 109.8° | 74.8° |
| C5 | C8 | C9 | H12 | 89.7° | 90.0° |
| C5 | C8 | C9 | H11 | 150.2° | 150.0° |
| C5 | C8 | C9 | H13 | 30.3° | 30.0° |
| C9 | C8 | C10 | C1 | 179.3° | 180.0° |
| C9 | C8 | C10 | H14 | 0.7° | 0.0° |
| C8 | C9 | H12 | H11 | 120.0° | 120.0° |
| C8 | C9 | H12 | H13 | 120.0° | 120.1° |
| C8 | C9 | H11 | H13 | 120.0° | 120.0° |
| C8 | C10 | C1 | H14 | 180.0° | 180.0° |
| C10 | C8 | C9 | H12 | 89.8° | 90.0° |
| C10 | C8 | C9 | H11 | 30.2° | 30.0° |
| C10 | C8 | C9 | H13 | 150.2° | 149.9° |
| C10 | C1 | C | H1 | 88.8° | 90.1° |
| C10 | C1 | C | H2 | 31.2° | 29.9° |
| C10 | C1 | C | H | 151.2° | 150.0° |
| C10 | C1 | C2 | H3 | 178.4° | 180.0° |
| H5 | C4 | H4 | H6 | 120.0° | 120.1° |
| H8 | C7 | O1 | H10 | 59.7° | 60.0° |
| H9 | C7 | O1 | H10 | 59.6° | 60.0° |
| H1 | C | H2 | H | 120.0° | 119.9° |
| H12 | C9 | H11 | H13 | 120.0° | 120.0° |
